N-[2-[3-chloranyl-4-oxidanylidene-5-(trifluoromethyl)-1H-pyridin-2-yl]-4-nitro-pyrazol-3-yl]propanamide

Systemtic Name: N-[2-[3-chloranyl-4-oxidanylidene-5-(trifluoromethyl)-1H-pyridin-2-yl]-4-nitro-pyrazol-3-yl]propanamide Openeye Name: N-[2-[3-chloro-4-oxo-5-(trifluoromethyl)-1H-pyridin-2-yl]-4-nitro-pyrazol-3-yl]propanamide CAS Name: N-[2-[3-chloro-4-oxo-5-(trifluoromethyl)-1H-pyridin-2-yl]-4-nitro-3-pyrazolyl]propanamide IUPAC Name: N-[2-[3-chloro-4-oxo-5-(trifluoromethyl)-1H-pyridin-2-yl]-4-nitropyrazol-3-yl]propanamide Traditional Name: N-[2-[3-chloro-4-keto-5-(trifluoromethyl)-1H-pyridin-2-yl]-4-nitro-pyrazol-3-yl]propionamide Formula: C12H9ClF3N5O4 MolecularWeight: 379.67917

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=NN1C2=C(C(=O)C(=CN2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C=NN1C2=C(C(=O)C(=CN2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClF3N5O4/c1-2-7(22)19-10-6(21(24)25)4-18-20(10)11-8(13)9(23)5(3-17-11)12(14,15)16/h3-4H,2H2,1H3,(H,17,23)(H,19,22)